element(s):
['Ga']
AFLOW prototype label:
A_oC4_63_c
Parameter names:
['a', 'b/a', 'c/a', 'y1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7854', '2.9018453', '1.1948374', '0.13408348']
model name:
Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ga']
representative atom coordinates =  [[0.         0.13408348 0.25      ]]
spacegroup =  63
cell =  [[2.7854, 0, 0], [0, 8.0828, 0], [0, 0, 3.3281]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:48:18       -9.666821         8.482687
BFGS:    1 15:48:18      -10.720592         4.601363
BFGS:    2 15:48:18      -11.042811         1.990924
BFGS:    3 15:48:18      -11.128109         0.591463
BFGS:    4 15:48:18      -11.134990         0.182429
BFGS:    5 15:48:18      -11.135923         0.180595
BFGS:    6 15:48:18      -11.137516         0.239832
BFGS:    7 15:48:18      -11.140960         0.289788
BFGS:    8 15:48:18      -11.146050         0.277685
BFGS:    9 15:48:18      -11.150258         0.222398
BFGS:   10 15:48:18      -11.153452         0.253070
BFGS:   11 15:48:18      -11.155024         0.185193
BFGS:   12 15:48:18      -11.156129         0.103473
BFGS:   13 15:48:18      -11.156669         0.076051
BFGS:   14 15:48:18      -11.157150         0.094175
BFGS:   15 15:48:18      -11.157470         0.097085
BFGS:   16 15:48:18      -11.157605         0.047412
BFGS:   17 15:48:18      -11.157647         0.022535
BFGS:   18 15:48:18      -11.157597         0.044319
BFGS:   19 15:48:18      -11.157658         0.001148
BFGS:   20 15:48:18      -11.157658         0.000364
BFGS:   21 15:48:18      -11.157658         0.000001
BFGS:   22 15:48:18      -11.157658         0.000000
BFGS:   23 15:48:18      -11.157658         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.0245233220823604e-09 eV/Angstrom
Maximum stress component: 2.5491047189304194e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ga', 'Ga', 'Ga', 'Ga']
basis =  [[0.00000000e+00 1.41077052e-01 2.50000000e-01]
 [3.43027676e-36 8.58922948e-01 7.50000000e-01]
 [5.00000000e-01 6.41077052e-01 2.50000000e-01]
 [5.00000000e-01 3.58922948e-01 7.50000000e-01]]
cellpar =  Cell([[2.7241920548257728, -1.5086724644628777e-35, 0.0], [2.731014029114132e-35, 7.5213841805741914, 0.0], [0.0, 0.0, 3.4049499843959823]])
forces =  [[-8.39456488e-33 -1.02452332e-09  6.71507982e-31]
 [ 1.67891298e-32  1.02452332e-09 -6.71507982e-31]
 [-4.19728244e-33 -1.02452332e-09  3.35753991e-31]
 [ 3.35782595e-32  1.02452332e-09 -3.35753991e-31]]
stress =  [ 1.49417826e-10  2.54910472e-10  2.49784194e-10  0.00000000e+00
  0.00000000e+00 -1.20313666e-33]
energy per atom =  -2.7894146133432667
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0